N,N-dimethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
N,N-dimethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
N,N-dimethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
Compound ID: | D684-0341 |
Compound Name: | N,N-dimethyl-4-[3-(methylsulfanyl)-1H-1,2,4-triazol-1-yl]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine |
Molecular Weight: | 306.39 |
Molecular Formula: | C12 H18 N8 S |
Smiles: | CN(C)c1nc(nc(n1)n1cnc(n1)SC)N1CCCC1 |
Stereo: | ACHIRAL |
logP: | 3.4089 |
logD: | 3.4049 |
logSw: | -3.6056 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 56.17 |
InChI Key: | SUGSCINNBGYTHD-UHFFFAOYSA-N |